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4-Methoxybenzoylacetonitrile

4-Methoxybenzoylacetonitrile structure

CAS No:
3672-47-7
Formula:
C10H9NO2
Chemical Name:
4-Methoxybenzoylacetonitrile
Synonyms:
3-(4-methoxyphenyl)-3-oxopropanenitrile;4-Methoxybenzoylacetonitrile;4"-METHOXYBENZOYLACETONITRILE;3-OXO-3-(4-METHOXYPHENYL)PROPIONITRILE;4-Methoxybenzoyl acetonitrile;NSC31895;PubChem10102;Maybridge1_004582;ACMC-1AGD6;p-methoxybenzoylacetonitrile
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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Description

yellow crystalline powder

4-Methoxybenzoylacetonitrile Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.063324

NSC Number：

31895

DSSTox ID：

DTXSID70283505

HScode：

29269095

Characteristics

PSA：

50.1

XLogP3：

0.9

Appearance：

yellow crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

129-132 °C

Boiling Point：

364.4°C at 760 mmHg

Flash Point：

159.3±12.6 °C

Refractive Index：

1.526

Safety Information

Packing level：

III

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S36/37-S60-S45-S26-S20

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302+H312+H332 (16.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.18
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Methoxybenzoylacetonitrile

CAS No.: 3672-47-7

Content: 99.00%

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CAS No.: 3672-47-7

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Guide of 4-Methoxybenzoylacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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